6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine

C23H27N3O2 — CID 155819088

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine
SMILESCC(C)(C)Oc1cccc(-c2nc(OC(C)(C)C)ccc2-c2ccccn2)n1
InChIInChI=1S/C23H27N3O2/c1-22(2,3)27-19-12-9-11-18(25-19)21-16(17-10-7-8-15-24-17)13-14-20(26-21)28-23(4,5)6/h7-15H,1-6H3
InChIKeyIJBASROWNOXVQA-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.56
Rot. Bonds4

About 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine

6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine (PubChem CID 155819088) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine
PubChem CID155819088
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine
SMILESCC(C)(C)Oc1cccc(-c2nc(OC(C)(C)C)ccc2-c2ccccn2)n1
InChIInChI=1S/C23H27N3O2/c1-22(2,3)27-19-12-9-11-18(25-19)21-16(17-10-7-8-15-24-17)13-14-20(26-21)28-23(4,5)6/h7-15H,1-6H3
InChIKeyIJBASROWNOXVQA-UHFFFAOYSA-N
XLogP5.56
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
2-(4-Butoxyphenyl)pyridine
CID 11322128
2-(4-Butoxy-phenyl)-pyrazine
CID 11345209
7-(4-Methoxyphenyl)-1,6-naphthyridine
CID 44142283
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
2-Methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
CID 154644621
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-3-ylpyridine-3-carbonitrile
CID 154644624
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine (CID 155819088) is 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine is CC(C)(C)Oc1cccc(-c2nc(OC(C)(C)C)ccc2-c2ccccn2)n1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine?
The InChIKey is IJBASROWNOXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-22(2,3)27-19-12-9-11-18(25-19)21-16(17-10-7-8-15-24-17)13-14-20(26-21)28-23(4,5)6/h7-15H,1-6H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine?
6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine has a molecular weight of 377.49 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-3-pyridin-2-ylpyridine is sourced from PubChem (CID 155819088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).